Mg1.4Fe0.6SiS4 Fuhrmann J, Pickardt J Acta Crystallographica C46 (1990) 1996-1998 Synthesis and structure of magnesium iron thiosilicates (Mg1-xFex)2SiS4 _database_code_amcsd 0010191 CELL PARAMETERS: 12.6330 7.3480 5.9010 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 547.774 Density (g/cm3): 1.747 MAX. ABS. INTENSITY / VOLUME**2: 6.827575991 RIR: 1.272 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.58 2.49 5.3465 1 0 1 4 18.52 16.31 4.7900 2 1 0 4 19.29 9.65 4.6010 0 1 1 4 20.54 5.80 4.3232 1 1 1 8 20.60 44.33 4.3120 2 0 1 4 24.22 4.25 3.6740 0 2 0 2 25.99 11.63 3.4277 3 0 1 4 28.10 5.69 3.1758 2 2 0 4 28.26 3.34 3.1583 4 0 0 2 28.74 13.76 3.1064 3 1 1 8 29.50 21.41 3.0280 1 2 1 8 30.29 17.66 2.9505 0 0 2 2 31.13 1.20 2.8732 1 0 2 4 32.00 100.00 2.7966 2 2 1 8 32.15 54.50 2.7845 4 0 1 4 33.49 3.60 2.6759 1 1 2 8 33.52 3.66 2.6732 2 0 2 4 35.74 1.11 2.5122 2 1 2 8 35.83 2.65 2.5063 3 2 1 8 38.77 2.12 2.3227 5 0 1 4 39.16 4.72 2.3005 0 2 2 4 39.85 1.60 2.2622 0 3 1 4 40.66 8.09 2.2192 4 2 1 8 41.79 50.27 2.1616 2 2 2 8 41.90 22.30 2.1560 4 0 2 4 42.44 3.33 2.1297 2 3 1 8 42.96 1.65 2.1055 6 0 0 2 43.76 3.68 2.0688 4 1 2 8 44.78 2.57 2.0240 6 1 0 4 45.52 3.50 1.9928 3 3 1 8 46.24 1.87 1.9632 5 2 1 8 46.74 1.20 1.9436 1 0 3 4 46.94 3.57 1.9355 4 3 0 4 48.86 1.01 1.8640 1 3 2 8 48.99 4.04 1.8595 4 2 2 8 49.06 1.33 1.8568 5 1 2 8 49.57 1.25 1.8391 4 3 1 8 49.63 20.65 1.8370 0 4 0 2 49.92 39.55 1.8268 6 2 0 4 50.54 1.80 1.8059 2 3 2 8 51.26 1.13 1.7822 3 0 3 4 52.86 1.22 1.7319 3 1 3 8 53.06 2.84 1.7258 7 0 1 4 53.32 1.65 1.7180 1 2 3 8 53.46 1.89 1.7139 6 0 2 4 54.28 2.66 1.6900 2 4 1 8 54.90 26.85 1.6722 2 2 3 8 55.00 13.02 1.6697 4 0 3 4 56.87 2.06 1.6191 3 4 1 8 59.25 2.40 1.5594 0 4 2 4 59.52 6.38 1.5532 6 2 2 8 60.03 2.13 1.5412 6 3 1 8 60.35 1.57 1.5337 0 3 3 4 60.37 10.44 1.5334 4 4 1 8 60.71 4.92 1.5254 8 0 1 4 63.01 6.87 1.4753 0 0 4 2 65.18 1.98 1.4314 2 5 0 4 65.26 1.54 1.4298 5 2 3 8 65.45 1.96 1.4260 0 5 1 4 66.35 3.25 1.4088 8 2 1 8 66.92 7.75 1.3983 4 4 2 8 67.24 4.17 1.3923 8 0 2 4 67.95 1.69 1.3796 4 3 3 8 68.54 1.52 1.3690 0 2 4 4 73.54 1.56 1.2878 2 5 2 8 74.07 1.49 1.2800 9 2 1 8 75.60 1.62 1.2578 7 4 1 8 76.94 1.11 1.2392 2 3 4 8 77.21 7.17 1.2356 4 4 3 8 77.52 4.18 1.2314 8 0 3 4 78.82 2.41 1.2143 4 5 2 8 79.13 1.69 1.2104 8 3 2 8 79.30 1.42 1.2082 6 0 4 4 81.53 1.09 1.1807 6 5 1 8 81.75 2.78 1.1781 2 6 1 8 82.13 2.93 1.1736 8 4 1 8 82.36 3.96 1.1709 10 2 1 8 84.17 4.60 1.1502 0 4 4 4 84.40 9.06 1.1477 6 2 4 8 87.64 3.34 1.1134 2 6 2 8 88.02 3.21 1.1096 8 4 2 8 88.25 2.37 1.1073 10 2 2 8 88.35 3.97 1.1063 2 2 5 8 88.43 2.28 1.1055 4 0 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.